(+)-Pteryxin
Properties
- Molecular formula
- C21H22O7
- Molar mass
- 386.40 g/mol
- Exact mass
- 386.1366 Da
- Melting point
- 81 °C
- logP
- 3.45Crippen estimate
- Polar surface area
- 92.0 Ų
- H-bond donors / acceptors
- 0 / 7
- Rotatable bonds
- 3
- Stereocentres
- R, Rin SMILES atom order
- Double bonds
- ZE/Z, in SMILES order
Identifiers
CAS number
13161-75-6SMILES
C/C=C(/C)C(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OC(C)=OInChIKey
LYUZYPKZQDYMEE-YRCPKEQFSA-NInChI
InChI=1S/C21H22O7/c1-6-11(2)20(24)27-18-16-14(28-21(4,5)19(18)25-12(3)22)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- 2-Butenoic acid, 2-methyl-, (9R,10R)-9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester, (2Z)-
- Pteryxin
- Crotonic acid, 2-methyl-, 10-ester with 9,10-dihydro-9,10-dihydroxy-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b′]dipyran-2-one acetate, (Z)-
- 2-Butenoic acid, 2-methyl-, 9-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b′]dipyran-10-yl ester, [9R-[9α,10α(Z)]]-
- 2H,8H-Benzo[1,2-b:3,4-b′]dipyran, 2-butenoic acid deriv.
- Pterixin
- Pteryxine
- (+)-(3′R,4′R)-3′-Acetyl-4′-angeloylkhellactone
- cis-3′-Acetyl-4′-angeloylkhellactone